D0Z6TM
 Wcorina  10100417233D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 19 19  0     0  0  0  0  0  0999 V2000
   -0.0172    1.4168    0.0098 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617    2.2101    0.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9002    1.8797   -1.3124 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0478    3.0023    4.7609 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8870    4.0167    5.2174 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.7261    5.0311    5.6740 N   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9297    1.8941    1.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8457    1.0108    1.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7212    3.1477    2.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5592    1.3652    3.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4189    3.5315    3.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3620    2.6435    3.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9938    0.0383    1.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0026    3.8216    1.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2709    0.6765    3.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2544    4.5065    3.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7531    2.3264   -1.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5646    1.7043   -2.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
M  CHG  2   6   1   7  -1
M  END

$$$$